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CAS No.: | 32454-35-6 |
---|---|
Name: | 2-(4-Bromophenyl)-2-methylpropionic acid |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C10H11BrO2 |
Molecular Weight: | 243.1 |
Synonyms: | Benzeneacetic acid, 4-bromo-alpha,alpha-dimethyl-;2-Methyl-2-(4-bromophenyl) propionic acid; |
EINECS: | 696-555-7 |
Density: | 1.456 g/cm3 |
Melting Point: | 122-124 °C |
Boiling Point: | 334.239 °C at 760 mmHg |
Flash Point: | 155.942 °C |
Appearance: | White Solid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 37.30000 |
LogP: | 2.81130 |
2-(4-bromophenyl)-2-methylpropanenitrile
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 80 - 85℃; for 18h; Hydrolysis; | 99% |
With water; potassium hydroxide In ethanol for 20h; Reflux; | 5.3 g |
With potassium hydroxide In ethylene glycol for 4h; Reflux; |
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide In ethanol at 100℃; for 16h; | 99% |
methyl 2-(4-bromophenyl)-2,2-dimethylacetate
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
---|---|
Stage #1: methyl 2-(4-bromophenyl)-2,2-dimethylacetate With water; lithium hydroxide In 1,4-dioxane at 50℃; for 5.5h; Stage #2: With hydrogenchloride In 1,4-dioxane; water | 94% |
Stage #1: methyl 2-(4-bromophenyl)-2,2-dimethylacetate With methanol; lithium hydroxide; water In tetrahydrofuran at 0 - 20℃; for 3h; Stage #2: With hydrogenchloride In water at 0℃; | |
Stage #1: methyl 2-(4-bromophenyl)-2,2-dimethylacetate With potassium hydroxide; ethanol; water at 90℃; for 15h; Stage #2: With hydrogenchloride; water pH=2.0; |
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
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With water; sodium hydroxide In methanol for 2h; Reflux; | 86% |
2-methyl-2-phenylpropionic acid
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
---|---|
Stage #1: 2-methyl-2-phenylpropionic acid With bromine; sodium carbonate In water at 25 - 30℃; pH=7; Stage #2: With hydrogenchloride In water pH=1 - 2; Product distribution / selectivity; | 81% |
Stage #1: 2-methyl-2-phenylpropionic acid With bromine; sodium hydrogencarbonate In water at 25 - 35℃; for 13h; Industry scale; Stage #2: With hydrogenchloride In water at 0 - 10℃; pH=5; Product distribution / selectivity; | 46.6% |
With tetrachloromethane; bromine; iron |
Ethyl 4-bromophenylacetate
methyl iodide
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
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With sodium hydride |
2-(4-bromophenyl)-2-methyl-propionic acid ethyl ester
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
---|---|
With methanol; sodium hydroxide; water In tetrahydrofuran at 20℃; for 16h; | |
Stage #1: 2-(4-bromophenyl)-2-methyl-propionic acid ethyl ester With methanol; potassium hydroxide; water at 0℃; for 2h; Heating / reflux; Stage #2: With hydrogenchloride; methanol In water |
potassium trimethylsilonate
methyl 2-(4-bromophenyl)-2,2-dimethylacetate
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
---|---|
With hydrogenchloride In tetrahydrofuran |
benzene
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / Industry scale 2.1: sodium hydrogencarbonate; bromine / water / 13 h / 25 - 35 °C / Industry scale 2.2: 0 - 10 °C / pH 5 View Scheme | |
Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / Industry scale 2.1: bromine; sodium carbonate / water / 25 - 30 °C / pH 7 2.2: pH 1 - 2 View Scheme |
2-(4-bromophenyl)propionic acid
methyl iodide
2-(4-bromophenyl)-2-methylpropionic acid
Conditions | Yield |
---|---|
Stage #1: 2-(4-bromophenyl)propionic acid With lithium diisopropyl amide In tetrahydrofuran at 45℃; for 1h; Inert atmosphere; Cooling with ice; Stage #2: methyl iodide In tetrahydrofuran at 0 - 20℃; Inert atmosphere; |
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Molecular Structure of 2-(4-Bromophenyl)-2-methylpropionic acid (CAS NO.32454-35-6):
IUPAC Name: 2-(4-bromophenyl)-2-methylpropanoic acid
Empirical Formula: C10H11BrO2
Molecular Weight: 243.0971
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 37.3 Å2
Index of Refraction: 1.559
Molar Refractivity: 53.895 cm3
Molar Volume: 166.931 cm3
Surface Tension: 43.054 dyne/cm
Density: 1.456 g/cm3
Flash Point: 155.942 °C
Enthalpy of Vaporization: 60.922 kJ/mol
Boiling Point: 334.239 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting point: 122-124°C
Product Categories: Aromatics
2-(4-Bromophenyl)-2-methylpropionic acid , with CAS number of 32454-35-6, can be called 2-(4-Bromophenyl)-2-methylpropionic acid ; Bromophenylmethylpropionicacid ; 2-Methyl-2-(4-bromophenyl) propionic acid ; benzeneacetic acid, 4-bromo-alpha,alpha-dimethyl- . It is a white solid.